[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

C33H33N7O4 — CID 71138401

IUPAC[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
SMILESNc1ncccc1-c1nc2ccc(-c3cccc(N4CCO[C@@H](CO)C4)c3)nc2n1-c1ccc(C2(NC(=O)O)CCC2)cc1
InChIInChI=1S/C33H33N7O4/c34-29-26(6-2-15-35-29)30-37-28-12-11-27(21-4-1-5-24(18-21)39-16-17-44-25(19-39)20-41)36-31(28)40(30)23-9-7-22(8-10-23)33(13-3-14-33)38-32(42)43/h1-2,4-12,15,18,25,38,41H,3,13-14,16-17,19-20H2,(H2,34,35)(H,42,43)/t25-/m1/s1
InChIKeyGDFYAUHCGLKOLM-RUZDIDTESA-N
MW591.67 g/mol
LogP4.58
Rot. Bonds7

About [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 71138401) has the molecular formula C33H33N7O4 and a molecular weight of 591.67 g/mol. Its IUPAC name is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID71138401
Molecular FormulaC33H33N7O4
Molecular Weight591.67 g/mol
Exact Mass591.26
IUPAC Name[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid
SMILESNc1ncccc1-c1nc2ccc(-c3cccc(N4CCO[C@@H](CO)C4)c3)nc2n1-c1ccc(C2(NC(=O)O)CCC2)cc1
InChIInChI=1S/C33H33N7O4/c34-29-26(6-2-15-35-29)30-37-28-12-11-27(21-4-1-5-24(18-21)39-16-17-44-25(19-39)20-41)36-31(28)40(30)23-9-7-22(8-10-23)33(13-3-14-33)38-32(42)43/h1-2,4-12,15,18,25,38,41H,3,13-14,16-17,19-20H2,(H2,34,35)(H,42,43)/t25-/m1/s1
InChIKeyGDFYAUHCGLKOLM-RUZDIDTESA-N
XLogP4.58
TPSA151.65 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.67
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid (CID 71138401) is [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCO[C@@H](CO)C4)c3)nc2n1-c1ccc(C2(NC(=O)O)CCC2)cc1.
What is the InChIKey of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is GDFYAUHCGLKOLM-RUZDIDTESA-N. The full InChI is InChI=1S/C33H33N7O4/c34-29-26(6-2-15-35-29)30-37-28-12-11-27(21-4-1-5-24(18-21)39-16-17-44-25(19-39)20-41)36-31(28)40(30)23-9-7-22(8-10-23)33(13-3-14-33)38-32(42)43/h1-2,4-12,15,18,25,38,41H,3,13-14,16-17,19-20H2,(H2,34,35)(H,42,43)/t25-/m1/s1.
What are the key properties of [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 591.67 g/mol, XLogP of 4.58, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-amino-3-pyridinyl)-5-[3-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]imidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 71138401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).